6-methylsulfanyl-2-N-(4-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine

C8H10N6S2 — CID 13033517

IUPAC6-methylsulfanyl-2-N-(4-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCSc1nc(N)nc(Nc2nc(C)cs2)n1
InChIInChI=1S/C8H10N6S2/c1-4-3-16-8(10-4)14-6-11-5(9)12-7(13-6)15-2/h3H,1-2H3,(H3,9,10,11,12,13,14)
InChIKeyBCTRUAZATRIRRS-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.68
Rot. Bonds3

About 6-methylsulfanyl-2-N-(4-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine

6-methylsulfanyl-2-N-(4-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 13033517) has the molecular formula C8H10N6S2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 6-methylsulfanyl-2-N-(4-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methylsulfanyl-2-N-(4-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID13033517
Molecular FormulaC8H10N6S2
Molecular Weight254.34 g/mol
Exact Mass254.04
IUPAC Name6-methylsulfanyl-2-N-(4-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCSc1nc(N)nc(Nc2nc(C)cs2)n1
InChIInChI=1S/C8H10N6S2/c1-4-3-16-8(10-4)14-6-11-5(9)12-7(13-6)15-2/h3H,1-2H3,(H3,9,10,11,12,13,14)
InChIKeyBCTRUAZATRIRRS-UHFFFAOYSA-N
XLogP1.68
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-2-N-(4-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methylsulfanyl-2-N-(4-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine (CID 13033517) is 6-methylsulfanyl-2-N-(4-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methylsulfanyl-2-N-(4-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methylsulfanyl-2-N-(4-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine is CSc1nc(N)nc(Nc2nc(C)cs2)n1.
What is the InChIKey of 6-methylsulfanyl-2-N-(4-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BCTRUAZATRIRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6S2/c1-4-3-16-8(10-4)14-6-11-5(9)12-7(13-6)15-2/h3H,1-2H3,(H3,9,10,11,12,13,14).
What are the key properties of 6-methylsulfanyl-2-N-(4-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine?
6-methylsulfanyl-2-N-(4-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 254.34 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-2-N-(4-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 13033517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).